1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine

C14H21Cl2NO — CID 65026055

IUPAC1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
SMILESCOc1ccc(Cl)cc1CNC(CCl)CC(C)C
InChIInChI=1S/C14H21Cl2NO/c1-10(2)6-13(8-15)17-9-11-7-12(16)4-5-14(11)18-3/h4-5,7,10,13,17H,6,8-9H2,1-3H3
InChIKeyNMUIVWHMHCMQEB-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.09
Rot. Bonds7

About 1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine

1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine (PubChem CID 65026055) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
PubChem CID65026055
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
SMILESCOc1ccc(Cl)cc1CNC(CCl)CC(C)C
InChIInChI=1S/C14H21Cl2NO/c1-10(2)6-13(8-15)17-9-11-7-12(16)4-5-14(11)18-3/h4-5,7,10,13,17H,6,8-9H2,1-3H3
InChIKeyNMUIVWHMHCMQEB-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 61036792
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 79245397
1-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65025834
N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
CID 62117809
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 51690857
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455
(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81368416
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904397
(2R)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 78975845

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of 1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine (CID 65026055) is 1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for 1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for 1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine is COc1ccc(Cl)cc1CNC(CCl)CC(C)C.
What is the InChIKey of 1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is NMUIVWHMHCMQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-10(2)6-13(8-15)17-9-11-7-12(16)4-5-14(11)18-3/h4-5,7,10,13,17H,6,8-9H2,1-3H3.
What are the key properties of 1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine?
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 65026055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).